基本情報
- CAS
6202-23-9- 標準SMILES
CN(C)CCC=C1c2ccccc2C=Cc2ccccc21.Cl- InChIKey
VXEAYBOGHINOKW-UHFFFAOYSA-N- 分子式
- C20H22ClN
- 平均分子量
- 311.8 g/mol
- 単同位体質量
- 311.14407738
概要
Cyclobenzaprine hydrochloride is the hydrochloride salt of cyclobenzaprine. A centrally acting skeletal muscle relaxant, it is used in the symptomatic treatment of painful muscle spasm. It has a role as an antidepressant and a muscle relaxant. It contains a cyclobenzaprine. It derives from a hydride of a dibenzo[a,d][7]annulene.
名称と識別子
- 優先名称
- Cyclobenzaprine Hydrochloride
- IUPAC
- N,N-dimethyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)propan-1-amine;hydrochloride
- 現地名
- 塩酸シクロベンザプリン
- 英語名
- Cyclobenzaprine hydrochloride
- 分子式
- C20H22ClN
- 分子量
- 311.85
名称と別名
Cyclobenzaprine hydrochloride6202-23-9Cyclobenzaprine HCLFlexerilFlexibanAmrixCycloflexClobenNovo-CycloprineTabradolTNX-102DTXSID2045105
名称をさらに表示
3-(5H-ジベンゾ[a,d]シクロヘプテン-5-イリデン)-N,N-ジメチル-1-プロパンアミン·塩酸塩フレキシバンフレキセリルリッセリルプロヘプタトリエン塩酸塩シクロベンザプリン塩酸塩5-(3-ジメチルアミノプロピリデン)ジベンゾ[a,e]シクロヘプタトリエン塩酸塩塩酸シクロベンザプリンシクロベンザプリン 塩酸塩シクロベンザプリン 塩酸塩 溶液3-(5H-ジベンゾ[a,d]シクロヘプテン-5-イリデン)-N,N-ジメチル-1-プロパンアミン・塩酸塩シクロベンザプリン・塩酸塩FlexibaLisserilCyclobezaprine HClMK130 hydrochlorideNortriptyline EP Impurity EAmitriptyline EP Impurity B
CYCLOBENZAPRINE HCI0VE05JYS2PNSC-78206NSC-169900NSC-17337910,11delta-Amitriptyline hydrochlorideCHEBI:3997DTXCID0025105
物性
構造計算による物性
- 極性表面積
- 3.2 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 1
- 回転可能結合数
- 3
- 重原子数
- 22
- 形式電荷
- 0
- 複雑度
- 365
実験および物理化学的性質
Human Drugs
Breast Feeding; Lactation; Milk, Human; Muscle Relaxants, Central
FDA approved drugs -> Active ingredient
FDA approved drugs -> Active ingredient
物理化学的性質
- 融点
- 216 · 216-2180C
- 闪点
- 9 ℃ · 9℃
- 貯蔵温度
- Inert atmosphere,Room Temperature
- 水溶解度
- Completely soluble in water
- 溶解性
- 15.59 mg/mL · ≥15.59 mg/mL in DMSO; ≥5.32 mg/mL in EtOH; ≥54.3 mg/mL in H2O
- 外見
- Solid
- 色
- White to Almost white
- Merck
- 14 · 14,2713
- 主な用途
- 医薬品（低分子化合物）
- InChI
- 1S/C20H21N.ClH/c1-21(2)15-7-12-20-18-10-5-3-8-16(18)13-14-17-9-4-6-11-19(17)20;/h3-6,8-14H,7,15H2,1-2H3;1H
- InChIKey
- VXEAYBOGHINOKW-UHFFFAOYSA-N
- SMILES
- Cl.CN(C)CC\C=C1\c2ccccc2C=Cc3ccccc13
- CAS データベース
- 6202 · 6202-23-9(CAS DataBase Reference)
化学的性質
安全と法規制
GHS分類
GHS Classification
This chemical does not meet GHS hazard criteria for 1.8% (1 of 55) of reports.
Danger
H301 (89.1%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P264, P270, P271, P272, P280, P301+P316, P302+P352, P304+P340, P317, P321, P330, P333+P317, P362+P364, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 55 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
Regulatory Information1-Propanamine, 3-(5H-dibenzoa,dcyclohepten-5-ylidene)-N,N-dimethyl-, hydrochloride: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - 1-Propanamine, 3-(5H-dibenzo[a,d]cyclohepten-5-ylidene)-N,N-dimethyl-, hydrochloride: Environment tier I assessment
Hazard Classes and CategoriesAcute Tox. 3 (89.1%)
毒性情報
Drug Induced Liver Injury
Drug Induced Liver Injury Rank (DILIrank 2.0)
Cyclobenzaprine hydrochloride
vLess-DILI-concern
5
Adverse reactions
DOI:10.1016/j.drudis.2016.02.015
Effects During Pregnancy and Lactation◉ Summary of Use during Lactation
安全データ
- wgk
- 3
- rtecs
- HP0875000
- ridadr
- UN 2811 6.1/PG 3
化学と産業
薬理情報
FDA Pharmacological Classification
CYCLOBENZAPRINE HCL
Centrally-mediated Muscle Relaxation [PE]; Muscle Relaxant [EPC]
CYCLOBENZAPRINE HCL ER
Centrally-mediated Muscle Relaxation [PE]; Muscle Relaxant [EPC]
CYCLOBENZAPRINE HYDROCHLORIDE
Centrally-mediated Muscle Relaxation [PE]; Muscle Relaxant [EPC]
MeSH Pharmacological Classification
Substances that contain a fused three-ring moiety and are used in the treatment of depression. These drugs block the uptake of norepinephrine and serotonin into axon terminals and may block some subtypes of serotonin, adrenergic, and histamine receptors. However, the mechanism of their antidepressant effects is not clear because the therapeutic effects usually take weeks to develop and may reflect compensatory changes in the central nervous system.
A heterogeneous group of drugs used to produce muscle relaxation, excepting the neuromuscular blocking agents. They have their primary clinical and therapeutic uses in the treatment of muscle spasm and immobility associated with strains, sprains, and injuries of the back and, to a lesser degree, injuries to the neck. They have been used also for the treatment of a variety of clinical conditions that have in common only the presence of skeletal muscle hyperactivity, for example, the muscle spasms that can occur in MULTIPLE SCLEROSIS. (From Smith and Reynard, Textbook of Pharmacology, 1991, p358)
A traditional grouping of drugs said to have a soothing or calming effect on mood, thought, or behavior. Included here are the ANTI-ANXIETY AGENTS (minor tranquilizers), ANTIMANIC AGENTS, and the ANTIPSYCHOTIC AGENTS (major tranquilizers). These drugs act by different mechanisms and are used for different therapeutic purposes.
応用分野
説明Cyclobenzaprine is a skeletal muscle relaxant that also has sedative properties. It has been shown to antagonize muscarinic receptors (Kis = 25, 60, and 6 nM for M1, M2, and M3, respectively), serotonin 5-HT2 receptors (Kis = 56 and 330 nM for 5-HT2C and 5-HT2B, respectively), and histamine H1 receptor (IC50 = 20 nM).
使用Cyclobenzaprine hydrochloride cam be used as muscle relaxant (skeletal).
関連反応
3 件
化合物ノート
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